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2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole

C19H24N4O2 — CID 154801621

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
SMILESCn1ccnc1[C@@H]1OCCC[C@H]1c1nnc(C=C(C2CC2)C2CC2)o1
InChIInChI=1S/C19H24N4O2/c1-23-9-8-20-18(23)17-14(3-2-10-24-17)19-22-21-16(25-19)11-15(12-4-5-12)13-6-7-13/h8-9,11-14,17H,2-7,10H2,1H3/t14-,17-/m1/s1
InChIKeyPGHNZTJYMGETHP-RHSMWYFYSA-N
MW340.43 g/mol
LogP3.64
Rot. Bonds5

About 2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole

2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole (PubChem CID 154801621) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
PubChem CID154801621
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
SMILESCn1ccnc1[C@@H]1OCCC[C@H]1c1nnc(C=C(C2CC2)C2CC2)o1
InChIInChI=1S/C19H24N4O2/c1-23-9-8-20-18(23)17-14(3-2-10-24-17)19-22-21-16(25-19)11-15(12-4-5-12)13-6-7-13/h8-9,11-14,17H,2-7,10H2,1H3/t14-,17-/m1/s1
InChIKeyPGHNZTJYMGETHP-RHSMWYFYSA-N
XLogP3.64
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole (CID 154801621) is 2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole is Cn1ccnc1[C@@H]1OCCC[C@H]1c1nnc(C=C(C2CC2)C2CC2)o1.
What is the InChIKey of 2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole?
The InChIKey is PGHNZTJYMGETHP-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-23-9-8-20-18(23)17-14(3-2-10-24-17)19-22-21-16(25-19)11-15(12-4-5-12)13-6-7-13/h8-9,11-14,17H,2-7,10H2,1H3/t14-,17-/m1/s1.
What are the key properties of 2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole?
2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole has a molecular weight of 340.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dicyclopropylethenyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154801621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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